3-imino-5-methylhex-5-en-2-amine

C7H14N2 — CID 155365001

IUPAC3-imino-5-methylhex-5-en-2-amine
SMILES[H]/N=C(\CC(=C)C)C(C)N
InChIInChI=1S/C7H14N2/c1-5(2)4-7(9)6(3)8/h6,9H,1,4,8H2,2-3H3/b9-7+
InChIKeyHNKLUHZOBVINAL-VQHVLOKHSA-N
MW126.20 g/mol
LogP1.32
Rot. Bonds3

About 3-imino-5-methylhex-5-en-2-amine

3-imino-5-methylhex-5-en-2-amine (PubChem CID 155365001) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-imino-5-methylhex-5-en-2-amine.

Molecular Properties

Compound Name3-imino-5-methylhex-5-en-2-amine
PubChem CID155365001
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-imino-5-methylhex-5-en-2-amine
SMILES[H]/N=C(\CC(=C)C)C(C)N
InChIInChI=1S/C7H14N2/c1-5(2)4-7(9)6(3)8/h6,9H,1,4,8H2,2-3H3/b9-7+
InChIKeyHNKLUHZOBVINAL-VQHVLOKHSA-N
XLogP1.32
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-5-methylhex-5-en-2-amine?
The IUPAC name of 3-imino-5-methylhex-5-en-2-amine (CID 155365001) is 3-imino-5-methylhex-5-en-2-amine.
What is the SMILES notation for 3-imino-5-methylhex-5-en-2-amine?
The canonical SMILES for 3-imino-5-methylhex-5-en-2-amine is [H]/N=C(\CC(=C)C)C(C)N.
What is the InChIKey of 3-imino-5-methylhex-5-en-2-amine?
The InChIKey is HNKLUHZOBVINAL-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H14N2/c1-5(2)4-7(9)6(3)8/h6,9H,1,4,8H2,2-3H3/b9-7+.
What are the key properties of 3-imino-5-methylhex-5-en-2-amine?
3-imino-5-methylhex-5-en-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5-methylhex-5-en-2-amine is sourced from PubChem (CID 155365001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).